(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid

C8H10NO4P — CID 18757044

IUPAC(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
SMILESC=C(C(O)c1cccnc1)P(=O)(O)O
InChIInChI=1S/C8H10NO4P/c1-6(14(11,12)13)8(10)7-3-2-4-9-5-7/h2-5,8,10H,1H2,(H2,11,12,13)
InChIKeyWPEDGKUITDJAFU-UHFFFAOYSA-N
MW215.14 g/mol
LogP0.81
Rot. Bonds3

About (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid

(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid (PubChem CID 18757044) has the molecular formula C8H10NO4P and a molecular weight of 215.14 g/mol. Its IUPAC name is (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid.

Molecular Properties

Compound Name(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
PubChem CID18757044
Molecular FormulaC8H10NO4P
Molecular Weight215.14 g/mol
Exact Mass215.03
IUPAC Name(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid
SMILESC=C(C(O)c1cccnc1)P(=O)(O)O
InChIInChI=1S/C8H10NO4P/c1-6(14(11,12)13)8(10)7-3-2-4-9-5-7/h2-5,8,10H,1H2,(H2,11,12,13)
InChIKeyWPEDGKUITDJAFU-UHFFFAOYSA-N
XLogP0.81
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
sodium 2-hydroxy-2-pyridin-3-ylacetate
CID 159760700
N,2-dihydroxy-2-pyridin-3-ylacetamide
CID 131036092
N-(4-chlorophenyl)-2-[hydroxy(pyridin-3-yl)methyl]prop-2-enamide
CID 11312285
2-hydroxy-N,N-dimethyl-2-pyridin-3-ylacetamide
CID 83529938
4,4,4-trifluorobutan-2-yl 2-[hydroxy(pyridin-3-yl)methyl]prop-2-enoate
CID 175269630
(R)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736549
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
(S)-diphenylphosphoryl(pyridin-3-yl)methanol
CID 736548
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid?
The IUPAC name of (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid (CID 18757044) is (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid.
What is the SMILES notation for (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid?
The canonical SMILES for (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid is C=C(C(O)c1cccnc1)P(=O)(O)O.
What is the InChIKey of (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid?
The InChIKey is WPEDGKUITDJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO4P/c1-6(14(11,12)13)8(10)7-3-2-4-9-5-7/h2-5,8,10H,1H2,(H2,11,12,13).
What are the key properties of (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid?
(3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid has a molecular weight of 215.14 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-pyridin-3-ylprop-1-en-2-yl)phosphonic acid is sourced from PubChem (CID 18757044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).